Publications

954 results at The Journal of Chemical Physics

⁷Σ⁺ and⁷∏ states of manganese hydride
- - Paul S. Bagus
  - Henry F. Schaefer III
- 2003
- The Journal of Chemical Physics
Study of the structure of molecular complexes. VI. Dimers and small clusters of water molecules in the Hartree-Fock approximation
- - H. Kistenmacher
  - G.C. Lie
  - et al.
- 2003
- The Journal of Chemical Physics
Perturbation theory for a mixture of hard spheres and square-well molecules
- - Douglas Henderson
- 2003
- The Journal of Chemical Physics
Physical cluster free energy from liquid-state perturbation theory
- - Farid F. Abraham
  - Jong K. Lee
  - et al.
- 2003
- The Journal of Chemical Physics
Monte Carlo simulation of physical clusters of water molecules
- - Farid F. Abraham
- 2003
- The Journal of Chemical Physics
Multiplescattering method based on overlapping atomic spheres with application to the TCNQ molecule
- - Frank Herman
  - Arthur R. Williams
  - et al.
- 2003
- The Journal of Chemical Physics
Study of the electronic structure of molecules. XXII. Correlation energy corrections as a functional of the Hartree Fock type density and its application to the homonuclear diatomic molecules of the second row atoms
- - George C. Lie
  - Enrico Clement
- 2003
- The Journal of Chemical Physics
Analytical Hartree-Fock functions for positive ions from lithium to xenon
- - Carla Roetti
  - Enrico Clementi
- 2003
- The Journal of Chemical Physics
Study of the theoretical dipole moment function and infrared transition matrix for the X¹S⁺ state of the HF molecule
- - George C. Lie
- 2003
- The Journal of Chemical Physics
PNO-CI studies of electron correlation effects. I. Configuration expansion by means of nonorthogonal orbitals, and application to the ground state and ionized states of methane
- - Wilfried Meyer
- 2003
- The Journal of Chemical Physics